(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C26H27N3O4S — CID 24599842

IUPAC(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H27N3O4S/c1-18(29-34(31,32)21-14-12-20(33-2)13-15-21)26(30)28-16-23(19-8-4-3-5-9-19)24-17-27-25-11-7-6-10-22(24)25/h3-15,17-18,23,27,29H,16H2,1-2H3,(H,28,30)/t18-,23?/m0/s1
InChIKeyHRMIMHKZFPVKGS-XNUZUHMRSA-N
MW477.59 g/mol
LogP3.79
Rot. Bonds9

About (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 24599842) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID24599842
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H27N3O4S/c1-18(29-34(31,32)21-14-12-20(33-2)13-15-21)26(30)28-16-23(19-8-4-3-5-9-19)24-17-27-25-11-7-6-10-22(24)25/h3-15,17-18,23,27,29H,16H2,1-2H3,(H,28,30)/t18-,23?/m0/s1
InChIKeyHRMIMHKZFPVKGS-XNUZUHMRSA-N
XLogP3.79
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968
1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8766523
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 24599842) is (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is HRMIMHKZFPVKGS-XNUZUHMRSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-18(29-34(31,32)21-14-12-20(33-2)13-15-21)26(30)28-16-23(19-8-4-3-5-9-19)24-17-27-25-11-7-6-10-22(24)25/h3-15,17-18,23,27,29H,16H2,1-2H3,(H,28,30)/t18-,23?/m0/s1.
What are the key properties of (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 477.59 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24599842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).