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

C19H23N5O3S — CID 44560572

IUPAC5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)c1
InChIInChI=1S/C19H23N5O3S/c1-11(25)22-13-5-2-4-12(8-13)16-9-15(18(28-16)24-19(20)27)17(26)23-14-6-3-7-21-10-14/h2,4-5,8-9,14,21H,3,6-7,10H2,1H3,(H,22,25)(H,23,26)(H3,20,24,27)/t14-/m0/s1
InChIKeyNOZVOEXWIZMGFO-AWEZNQCLSA-N
MW401.49 g/mol
LogP2.35
Rot. Bonds5

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

5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 44560572) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID44560572
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)c1
InChIInChI=1S/C19H23N5O3S/c1-11(25)22-13-5-2-4-12(8-13)16-9-15(18(28-16)24-19(20)27)17(26)23-14-6-3-7-21-10-14/h2,4-5,8-9,14,21H,3,6-7,10H2,1H3,(H,22,25)(H,23,26)(H3,20,24,27)/t14-/m0/s1
InChIKeyNOZVOEXWIZMGFO-AWEZNQCLSA-N
XLogP2.35
TPSA125.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

Azd7762
CID 11152667
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
1-{5-Tert-Butyl-3-[(5-Oxo-1,4-Diazepan-1-Yl)carbonyl]thiophen-2-Yl}-3-Naphthalen-1-Ylurea
CID 11605092
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 658113
Lsmotinib
CID 130358571
5-[2-(3-Aminophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25137998
5-[2-(3-Benzamidophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25138002
2-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
3-(carbamoylamino)-5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 57519527
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 44560572) is 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is CC(=O)Nc1cccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)c1.
What is the InChIKey of 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is NOZVOEXWIZMGFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-11(25)22-13-5-2-4-12(8-13)16-9-15(18(28-16)24-19(20)27)17(26)23-14-6-3-7-21-10-14/h2,4-5,8-9,14,21H,3,6-7,10H2,1H3,(H,22,25)(H,23,26)(H3,20,24,27)/t14-/m0/s1.
What are the key properties of 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 44560572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).