N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide

C23H26N4O3S — CID 162665588

IUPACN-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide
SMILESCn1ccc2cc(S(=O)(=O)N[C@H]3CCN(CCCc4noc5ccccc45)C3)ccc21
InChIInChI=1S/C23H26N4O3S/c1-26-13-10-17-15-19(8-9-22(17)26)31(28,29)25-18-11-14-27(16-18)12-4-6-21-20-5-2-3-7-23(20)30-24-21/h2-3,5,7-10,13,15,18,25H,4,6,11-12,14,16H2,1H3/t18-/m0/s1
InChIKeyMIDQPNSXCMMZSS-SFHVURJKSA-N
MW438.55 g/mol
LogP3.30
Rot. Bonds7

About N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide

N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide (PubChem CID 162665588) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide
PubChem CID162665588
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide
SMILESCn1ccc2cc(S(=O)(=O)N[C@H]3CCN(CCCc4noc5ccccc45)C3)ccc21
InChIInChI=1S/C23H26N4O3S/c1-26-13-10-17-15-19(8-9-22(17)26)31(28,29)25-18-11-14-27(16-18)12-4-6-21-20-5-2-3-7-23(20)30-24-21/h2-3,5,7-10,13,15,18,25H,4,6,11-12,14,16H2,1H3/t18-/m0/s1
InChIKeyMIDQPNSXCMMZSS-SFHVURJKSA-N
XLogP3.30
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide
CID 162664339
6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 71151865
N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71151352
5-chloro-N-[(3S)-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 71151824
N-[[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 71151725
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
CID 22989642
3-[3-[3-[(3,4-dimethylphenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole;hydrochloride
CID 166634636
3-[3-[3-[(3,4-difluorophenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole
CID 166632479
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
3-[3-[3-[(3,4-dichlorophenyl)sulfonylmethyl]pyrrolidin-1-yl]propyl]-6-fluoro-1,2-benzoxazole;hydrochloride
CID 166634354
1-(1,2-benzoxazol-3-ylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120875946
4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 171328941

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide?
The IUPAC name of N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide (CID 162665588) is N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide.
What is the SMILES notation for N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide?
The canonical SMILES for N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide is Cn1ccc2cc(S(=O)(=O)N[C@H]3CCN(CCCc4noc5ccccc45)C3)ccc21.
What is the InChIKey of N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide?
The InChIKey is MIDQPNSXCMMZSS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-26-13-10-17-15-19(8-9-22(17)26)31(28,29)25-18-11-14-27(16-18)12-4-6-21-20-5-2-3-7-23(20)30-24-21/h2-3,5,7-10,13,15,18,25H,4,6,11-12,14,16H2,1H3/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide?
N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide is sourced from PubChem (CID 162665588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).