(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

C22H25ClN4O4S — CID 92882222

IUPAC(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN4O4S/c1-15(21(28)24-18-6-4-17(23)5-7-18)25-32(30,31)19-8-9-20-16(14-19)10-13-27(20)22(29)26-11-2-3-12-26/h4-9,14-15,25H,2-3,10-13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyZTDZTTSYIIIQEB-OAHLLOKOSA-N
MW476.99 g/mol
LogP3.22
Rot. Bonds5

About (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (PubChem CID 92882222) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
PubChem CID92882222
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN4O4S/c1-15(21(28)24-18-6-4-17(23)5-7-18)25-32(30,31)19-8-9-20-16(14-19)10-13-27(20)22(29)26-11-2-3-12-26/h4-9,14-15,25H,2-3,10-13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyZTDZTTSYIIIQEB-OAHLLOKOSA-N
XLogP3.22
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92882227
N-propan-2-yl-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46384886
(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92882235
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
1-acetyl-N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 25490576
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254029

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (CID 92882222) is (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The InChIKey is ZTDZTTSYIIIQEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-15(21(28)24-18-6-4-17(23)5-7-18)25-32(30,31)19-8-9-20-16(14-19)10-13-27(20)22(29)26-11-2-3-12-26/h4-9,14-15,25H,2-3,10-13H2,1H3,(H,24,28)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide has a molecular weight of 476.99 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is sourced from PubChem (CID 92882222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).