2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

C18H22N4O2S — CID 44560524

IUPAC2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C18H22N4O2S/c1-11-4-6-12(7-5-11)15-9-14(17(25-15)22-18(19)24)16(23)21-13-3-2-8-20-10-13/h4-7,9,13,20H,2-3,8,10H2,1H3,(H,21,23)(H3,19,22,24)/t13-/m0/s1
InChIKeyBKBOPZCRBCJLJD-ZDUSSCGKSA-N
MW358.47 g/mol
LogP2.70
Rot. Bonds4

About 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 44560524) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID44560524
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C18H22N4O2S/c1-11-4-6-12(7-5-11)15-9-14(17(25-15)22-18(19)24)16(23)21-13-3-2-8-20-10-13/h4-7,9,13,20H,2-3,8,10H2,1H3,(H,21,23)(H3,19,22,24)/t13-/m0/s1
InChIKeyBKBOPZCRBCJLJD-ZDUSSCGKSA-N
XLogP2.70
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 44560524) is 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is BKBOPZCRBCJLJD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-4-6-12(7-5-11)15-9-14(17(25-15)22-18(19)24)16(23)21-13-3-2-8-20-10-13/h4-7,9,13,20H,2-3,8,10H2,1H3,(H,21,23)(H3,19,22,24)/t13-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-methylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 44560524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).