3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide

C21H22N4O4S2 — CID 55503068

IUPAC3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CC(NC(N)=O)c2cccs2)c1
InChIInChI=1S/C21H22N4O4S2/c1-25(16-8-3-2-4-9-16)31(28,29)17-10-5-7-15(13-17)23-20(26)14-18(24-21(22)27)19-11-6-12-30-19/h2-13,18H,14H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyLOSZJMNNEMOHEQ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.31
Rot. Bonds8

About 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 55503068) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide
PubChem CID55503068
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC Name3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CC(NC(N)=O)c2cccs2)c1
InChIInChI=1S/C21H22N4O4S2/c1-25(16-8-3-2-4-9-16)31(28,29)17-10-5-7-15(13-17)23-20(26)14-18(24-21(22)27)19-11-6-12-30-19/h2-13,18H,14H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyLOSZJMNNEMOHEQ-UHFFFAOYSA-N
XLogP3.31
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 75866480
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide
CID 154837183
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 9467923
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate
CID 4526537
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673240
(2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51724229

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide (CID 55503068) is 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CC(NC(N)=O)c2cccs2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is LOSZJMNNEMOHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-25(16-8-3-2-4-9-16)31(28,29)17-10-5-7-15(13-17)23-20(26)14-18(24-21(22)27)19-11-6-12-30-19/h2-13,18H,14H2,1H3,(H,23,26)(H3,22,24,27).
What are the key properties of 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 458.57 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55503068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).