(2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide

C30H42ClN5O5S — CID 10240164

IUPAC(2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CCC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C30H42ClN5O5S/c1-21(2)34(18-17-33-13-5-4-6-14-33)29(38)22(3)35-15-11-27(30(35)39)36(16-12-28(32)37)42(40,41)26-10-8-23-19-25(31)9-7-24(23)20-26/h7-10,19-22,27H,4-6,11-18H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1
InChIKeyRXVLLJCWEYTGOK-CUNXSJBXSA-N
MW620.22 g/mol
LogP3.07
Rot. Bonds12

About (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide

(2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide (PubChem CID 10240164) has the molecular formula C30H42ClN5O5S and a molecular weight of 620.22 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide
PubChem CID10240164
Molecular FormulaC30H42ClN5O5S
Molecular Weight620.22 g/mol
Exact Mass619.26
IUPAC Name(2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CCC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C30H42ClN5O5S/c1-21(2)34(18-17-33-13-5-4-6-14-33)29(38)22(3)35-15-11-27(30(35)39)36(16-12-28(32)37)42(40,41)26-10-8-23-19-25(31)9-7-24(23)20-26/h7-10,19-22,27H,4-6,11-18H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1
InChIKeyRXVLLJCWEYTGOK-CUNXSJBXSA-N
XLogP3.07
TPSA124.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide with MolForge

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Related Compounds

(alphas,3S)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-N-(1-methylethyl)-N-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-1-pyrrolidineacetamide
CID 9549260
P4 alanylamide pyrrolidin-2-one 49
CID 10152813
6-Chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide
CID 10187006
P4 alanylamide pyrrolidin-2-one 51
CID 10196732
P4 alanylamide pyrrolidin-2-one 50
CID 10311760
P4 alanylamide pyrrolidin-2-one 52
CID 23646123
P4 alanylamide pyrrolidin-2-one 53
CID 23646124
P4 alanylamide pyrrolidin-2-one 54
CID 23646125
6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
CID 23646130
6-Chloro-N-{(3S)-1-[(1S)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
CID 6852168
P4 alanylamide pyrrolidin-2-one 55
CID 23646126
P4 alanylamide pyrrolidin-2-one 36
CID 10128598

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide (CID 10240164) is (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide is CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CCC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide?
The InChIKey is RXVLLJCWEYTGOK-CUNXSJBXSA-N. The full InChI is InChI=1S/C30H42ClN5O5S/c1-21(2)34(18-17-33-13-5-4-6-14-33)29(38)22(3)35-15-11-27(30(35)39)36(16-12-28(32)37)42(40,41)26-10-8-23-19-25(31)9-7-24(23)20-26/h7-10,19-22,27H,4-6,11-18H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide?
(2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide has a molecular weight of 620.22 g/mol, XLogP of 3.07, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 10240164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).