(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide

C22H22ClN3O3S — CID 41095619

IUPAC(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H22ClN3O3S/c1-15(22(27)26-19-11-13-20(14-12-19)30(24,28)29)25-21(16-5-3-2-4-6-16)17-7-9-18(23)10-8-17/h2-15,21,25H,1H3,(H,26,27)(H2,24,28,29)/t15-,21+/m0/s1
InChIKeyIVXXXFMEIIPONZ-YCRPNKLZSA-N
MW443.96 g/mol
LogP3.69
Rot. Bonds7

About (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide

(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 41095619) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID41095619
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H22ClN3O3S/c1-15(22(27)26-19-11-13-20(14-12-19)30(24,28)29)25-21(16-5-3-2-4-6-16)17-7-9-18(23)10-8-17/h2-15,21,25H,1H3,(H,26,27)(H2,24,28,29)/t15-,21+/m0/s1
InChIKeyIVXXXFMEIIPONZ-YCRPNKLZSA-N
XLogP3.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912001
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
(2R)-N-(4-chlorophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132361
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-N-(4-acetylphenyl)-2-(benzhydrylamino)propanamide
CID 7516109
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide (CID 41095619) is (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide is C[C@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is IVXXXFMEIIPONZ-YCRPNKLZSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-15(22(27)26-19-11-13-20(14-12-19)30(24,28)29)25-21(16-5-3-2-4-6-16)17-7-9-18(23)10-8-17/h2-15,21,25H,1H3,(H,26,27)(H2,24,28,29)/t15-,21+/m0/s1.
What are the key properties of (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 443.96 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 41095619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).