N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide

C23H29N3O4S — CID 66684591

IUPACN-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)Nc1cccc(C2(C(=O)NC(CN3CCCC3)c3cccc(O)c3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-31(29,30)25-19-8-5-7-18(15-19)23(10-11-23)22(28)24-21(16-26-12-2-3-13-26)17-6-4-9-20(27)14-17/h4-9,14-15,21,25,27H,2-3,10-13,16H2,1H3,(H,24,28)
InChIKeyQLZUWSXCALMLIB-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.75
Rot. Bonds8

About N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide

N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide (PubChem CID 66684591) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
PubChem CID66684591
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)Nc1cccc(C2(C(=O)NC(CN3CCCC3)c3cccc(O)c3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-31(29,30)25-19-8-5-7-18(15-19)23(10-11-23)22(28)24-21(16-26-12-2-3-13-26)17-6-4-9-20(27)14-17/h4-9,14-15,21,25,27H,2-3,10-13,16H2,1H3,(H,24,28)
InChIKeyQLZUWSXCALMLIB-UHFFFAOYSA-N
XLogP2.75
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(1S)-1-[[1-[3-(methanesulfonamido)phenyl]cyclopropanecarbonyl]amino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid
CID 66685250
1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66684992
1-[3-(methanesulfonamido)-4-methylphenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane
CID 159270018
1-[4-chloro-3-(methanesulfonamido)phenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane
CID 157460625
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 66692493
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane;hydrochloride
CID 157098147
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685367
1-[4-(methanesulfonamidomethyl)phenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56644810
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
[4-[1-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]cyclopropyl]phenyl] methanesulfonate;hydrochloride
CID 87105945

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide (CID 66684591) is N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide is CS(=O)(=O)Nc1cccc(C2(C(=O)NC(CN3CCCC3)c3cccc(O)c3)CC2)c1.
What is the InChIKey of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The InChIKey is QLZUWSXCALMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-31(29,30)25-19-8-5-7-18(15-19)23(10-11-23)22(28)24-21(16-26-12-2-3-13-26)17-6-4-9-20(27)14-17/h4-9,14-15,21,25,27H,2-3,10-13,16H2,1H3,(H,24,28).
What are the key properties of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 66684591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).