(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C20H21N3O3S2 — CID 125432083

IUPAC(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S2/c24-20(14-19(16-8-12-27-15-16)22-9-1-2-10-22)21-17-4-6-18(7-5-17)23-11-3-13-28(23,25)26/h1-2,4-10,12,15,19H,3,11,13-14H2,(H,21,24)/t19-/m0/s1
InChIKeyOXXWWWWFGVHNDT-IBGZPJMESA-N
MW415.54 g/mol
LogP3.71
Rot. Bonds6

About (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 125432083) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID125432083
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S2/c24-20(14-19(16-8-12-27-15-16)22-9-1-2-10-22)21-17-4-6-18(7-5-17)23-11-3-13-28(23,25)26/h1-2,4-10,12,15,19H,3,11,13-14H2,(H,21,24)/t19-/m0/s1
InChIKeyOXXWWWWFGVHNDT-IBGZPJMESA-N
XLogP3.71
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
(3R)-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434074
(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434027
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 121240660
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432180
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303619
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71700471

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 125432083) is (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is OXXWWWWFGVHNDT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3O3S2/c24-20(14-19(16-8-12-27-15-16)22-9-1-2-10-22)21-17-4-6-18(7-5-17)23-11-3-13-28(23,25)26/h1-2,4-10,12,15,19H,3,11,13-14H2,(H,21,24)/t19-/m0/s1.
What are the key properties of (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125432083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).