(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

C23H27ClN4O4S — CID 92882227

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1
InChIInChI=1S/C23H27ClN4O4S/c1-15-5-6-18(24)14-20(15)25-22(29)16(2)26-33(31,32)19-7-8-21-17(13-19)9-12-28(21)23(30)27-10-3-4-11-27/h5-8,13-14,16,26H,3-4,9-12H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyMMAUQZOEPJICOE-INIZCTEOSA-N
MW491.01 g/mol
LogP3.53
Rot. Bonds5

About (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (PubChem CID 92882227) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
PubChem CID92882227
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1
InChIInChI=1S/C23H27ClN4O4S/c1-15-5-6-18(24)14-20(15)25-22(29)16(2)26-33(31,32)19-7-8-21-17(13-19)9-12-28(21)23(30)27-10-3-4-11-27/h5-8,13-14,16,26H,3-4,9-12H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyMMAUQZOEPJICOE-INIZCTEOSA-N
XLogP3.53
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92882222
(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92882235
N-propan-2-yl-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46384886
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
N-(5-chloro-2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025546
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745
(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41329496
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 92661556
N-(4-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361184
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 9494444

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (CID 92882227) is (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is Cc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The InChIKey is MMAUQZOEPJICOE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c1-15-5-6-18(24)14-20(15)25-22(29)16(2)26-33(31,32)19-7-8-21-17(13-19)9-12-28(21)23(30)27-10-3-4-11-27/h5-8,13-14,16,26H,3-4,9-12H2,1-2H3,(H,25,29)/t16-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide has a molecular weight of 491.01 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is sourced from PubChem (CID 92882227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).