N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C19H22N2O3S2 — CID 51484712

IUPACN-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@@H](c1cccs1)C1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N2O3S2/c22-19(20-18(14-8-9-14)17-7-4-12-25-17)15-5-3-6-16(13-15)26(23,24)21-10-1-2-11-21/h3-7,12-14,18H,1-2,8-11H2,(H,20,22)/t18-/m1/s1
InChIKeyGPQGOSMSTIRIFB-GOSISDBHSA-N
MW390.53 g/mol
LogP3.41
Rot. Bonds6

About N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 51484712) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID51484712
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@@H](c1cccs1)C1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N2O3S2/c22-19(20-18(14-8-9-14)17-7-4-12-25-17)15-5-3-6-16(13-15)26(23,24)21-10-1-2-11-21/h3-7,12-14,18H,1-2,8-11H2,(H,20,22)/t18-/m1/s1
InChIKeyGPQGOSMSTIRIFB-GOSISDBHSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
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N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
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N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
N-[1-oxo-1-[2-(3-piperidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
CID 55489674
N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606
2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829053
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 41015961
3-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 18801888

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 51484712) is N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(N[C@@H](c1cccs1)C1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GPQGOSMSTIRIFB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-19(20-18(14-8-9-14)17-7-4-12-25-17)15-5-3-6-16(13-15)26(23,24)21-10-1-2-11-21/h3-7,12-14,18H,1-2,8-11H2,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 390.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 51484712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).