7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

C20H20N2O4S2 — CID 140986658

IUPAC7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccsc4)C3=O)cc2c1
InChIInChI=1S/C20H20N2O4S2/c1-26-17-4-2-15-3-5-18(11-16(15)10-17)28(24,25)21-19-6-8-22(20(19)23)12-14-7-9-27-13-14/h2-5,7,9-11,13,19,21H,6,8,12H2,1H3/t19-/m0/s1
InChIKeyQHMDQVHATUNAJH-IBGZPJMESA-N
MW416.52 g/mol
LogP2.99
Rot. Bonds6

About 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 140986658) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID140986658
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccsc4)C3=O)cc2c1
InChIInChI=1S/C20H20N2O4S2/c1-26-17-4-2-15-3-5-18(11-16(15)10-17)28(24,25)21-19-6-8-22(20(19)23)12-14-7-9-27-13-14/h2-5,7,9-11,13,19,21H,6,8,12H2,1H3/t19-/m0/s1
InChIKeyQHMDQVHATUNAJH-IBGZPJMESA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-aminoquinolin-6-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
CID 10116445
3-[[(3R)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 10766061
N-[(3S)-1-[(2-amino-1H-isoquinolin-6-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide;hydrochloride
CID 157178787
N-[(3S)-1-[(2-amino-3H-benzimidazol-5-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
CID 134146016
N-[(3S)-1-(3H-benzimidazol-5-ylmethyl)-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 70084732
[3-[[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thieno[3,2-c]pyridin-4-yl] 2,2,2-trifluoroacetate
CID 90829658
[3-[[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thieno[2,3-c]pyridin-7-yl] 2,2,2-trifluoroacetate
CID 90830973
2-[4-methanehydrazonoyl-2-[[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 67365960
3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-3-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 11800766
N-(1-ethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 126804894
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-7-hydroxynaphthalene-2-sulfonamide
CID 10645849
7-methoxy-N-[(3S)-2-oxopyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)naphthalene-2-sulfonamide
CID 140986681

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 140986658) is 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccsc4)C3=O)cc2c1.
What is the InChIKey of 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is QHMDQVHATUNAJH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-26-17-4-2-15-3-5-18(11-16(15)10-17)28(24,25)21-19-6-8-22(20(19)23)12-14-7-9-27-13-14/h2-5,7,9-11,13,19,21H,6,8,12H2,1H3/t19-/m0/s1.
What are the key properties of 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 416.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 140986658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).