(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide

C27H29N3O3S — CID 15515701

IUPAC(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide
SMILESCN(C(=O)[C@H](CC#Cc1ccc(N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1
InChIInChI=1S/C27H29N3O3S/c1-30(24-10-4-5-11-24)27(31)26(12-6-7-20-13-16-23(28)17-14-20)29-34(32,33)25-18-15-21-8-2-3-9-22(21)19-25/h2-3,8-9,13-19,24,26,29H,4-5,10-12,28H2,1H3/t26-/m0/s1
InChIKeyMHPPKHXVUDPZHD-SANMLTNESA-N
MW475.61 g/mol
LogP3.91
Rot. Bonds6

About (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide

(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide (PubChem CID 15515701) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide.

Molecular Properties

Compound Name(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide
PubChem CID15515701
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide
SMILESCN(C(=O)[C@H](CC#Cc1ccc(N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1
InChIInChI=1S/C27H29N3O3S/c1-30(24-10-4-5-11-24)27(31)26(12-6-7-20-13-16-23(28)17-14-20)29-34(32,33)25-18-15-21-8-2-3-9-22(21)19-25/h2-3,8-9,13-19,24,26,29H,4-5,10-12,28H2,1H3/t26-/m0/s1
InChIKeyMHPPKHXVUDPZHD-SANMLTNESA-N
XLogP3.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19608647
N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide
CID 142629304
(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-ethyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 54212480
2-(4-carbamohydrazonoylphenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)acetamide
CID 75002931
methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate
CID 3263184
2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
CID 112760371
N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
CID 4531956
(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide
CID 142626954
tert-butyl (3S)-4-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate
CID 10347427
3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 142626961
4-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid
CID 19082833
(2S)-N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-2-(naphthalen-2-ylsulfonylamino)-3-(3-nitrophenyl)propanamide
CID 67629269

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide?
The IUPAC name of (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide (CID 15515701) is (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide.
What is the SMILES notation for (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide?
The canonical SMILES for (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide is CN(C(=O)[C@H](CC#Cc1ccc(N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1.
What is the InChIKey of (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide?
The InChIKey is MHPPKHXVUDPZHD-SANMLTNESA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-30(24-10-4-5-11-24)27(31)26(12-6-7-20-13-16-23(28)17-14-20)29-34(32,33)25-18-15-21-8-2-3-9-22(21)19-25/h2-3,8-9,13-19,24,26,29H,4-5,10-12,28H2,1H3/t26-/m0/s1.
What are the key properties of (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide?
(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide has a molecular weight of 475.61 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide is sourced from PubChem (CID 15515701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).